2-[[2-(cyanomethyl)phenyl]amino]-5-methoxy-benzoic acid

Systemtic Name: 2-[[2-(cyanomethyl)phenyl]amino]-5-methoxy-benzoic acid Openeye Name: 2-[2-(cyanomethyl)anilino]-5-methoxy-benzoic acid CAS Name: 2-[2-(cyanomethyl)anilino]-5-methoxybenzoic acid IUPAC Name: 2-[2-(cyanomethyl)anilino]-5-methoxybenzoic acid Traditional Name: 2-[2-(cyanomethyl)anilino]-5-methoxy-benzoic acid Formula: C16H14N2O3 MolecularWeight: 282.29396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=CC=CC=C2CC#N)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=CC=CC=C2CC#N)C(=O)O

InChI

InChI=1S/C16H14N2O3/c1-21-12-6-7-15(13(10-12)16(19)20)18-14-5-3-2-4-11(14)8-9-17/h2-7,10,18H,8H2,1H3,(H,19,20)